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Rimonabant
SpectraBase Compound ID F2OrD2NnHRR
InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
InChIKey JZCPYUJPEARBJL-UHFFFAOYSA-N
Mol Weight 463.8 g/mol
Molecular Formula C22H21Cl3N4O
Exact Mass 462.078094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JF478NgV4m8
Name Rimonabant
CAS Registry Number 168273-06-1
Classification Pharmaceutical drug, anorectic
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 462.078094411 u
Formula C22H21Cl3N4O
InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
InChIKey JZCPYUJPEARBJL-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 463.796 g/mol
Nominal Mass 462 u
Quality 899
Retention Index 3613
SMILES C=1(N(N=C(C1C)C(NN1CCCCC1)=O)C1=C(C=C(C=C1)Cl)Cl)C1=CC=C(C=C1)Cl
SPLASH splash10-03yi-2239000000-3f4f1ab92cf0fc941fa8
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms SR 141716A SR-141716 SR-141716A SR141716 SR141716A 5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-pyrazole-3-carboxamide
Technique GC/MS
Wiley ID DD2024_015002